alterlab-rdkit

SKILLWorkflowcommunity
v0.0.0AlterLab-IEUMITUpdated 3mo agoSource →

Provides the RDKit cheminformatics toolkit for low-level, fine-grained molecular primitives — SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure/SMARTS search, 2D/3D coordinate generation, similarity, and reaction handling. Use when custom sanitization, specialized fingerpr

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3mo agoLast update
Skill
AuthorAlterLab-IEU
Version0.0.0
LicenseMIT
CategoryWorkflow
Formatsskill.md
PromptNot published
Compatibility
Claude✓ Supported
Cursor—
Copilot—
ChatGPT—
Gemini—
About

Provides the RDKit cheminformatics toolkit for low-level, fine-grained molecular primitives — SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure/SMARTS search, 2D/3D coordinate generation, similarity, and reaction handling. Use when custom sanitization, specialized fingerprint or descriptor algorithms, reaction enumeration, or conformer generation demand direct API contro

Keywords
skillclaude

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